CalculationMode = gs

PeriodicDimensions = 3

Spacing = 0.5

a = 10.18
%LatticeParameters
 a | a | a
%

%LatticeVectors
 0.0 | 0.5 | 0.5
 0.5 | 0.0 | 0.5
 0.5 | 0.5 | 0.0
%

%ReducedCoordinates
 "Si" | 0.0 | 0.0 | 0.0
 "Si" | 1/4 | 1/4 | 1/4
%

nk = 6
%KPointsGrid
  nk |  nk |  nk
 0.5 | 0.5 | 0.5
 0.5 | 0.0 | 0.0
 0.0 | 0.5 | 0.0
 0.0 | 0.0 | 0.5
%
KPointsUseSymmetries = yes

Eigensolver = chebyshev_filter
ExtraStates = 4
%Output
 dos
%
